Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 6Links: 8
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 40001
- Core Entity Id
- 78769
- Source Entity Count
- 1
- Preferred Name
- (1s,2s,5s)-2,5-dimethylcyclohexan-1-ol
- Name En
- Pubchem Id
- 10920530
- Smiles Canonical
- CC1CCC(C(C1)O)C
- Molecular Formula
- C8H16O
- Molecular Weight
- 128.2150
- Inchikey
- RUADGOLRFXTMCY-FXQIFTODSA-N
- Inchi
- InChI=1S/C8H16O/c1-6-3-4-7(2)8(9)5-6/h6-9H,3-5H2,1-2H3/t6-,7-,8-/m0/s1
- Isomeric Smiles
- C[C@H]1CC[C@@H]([C@H](C1)O)C
- Cas Id
- 3809-32-3
- Ob Score
- 70.8027
- Mol Logp
- 1.8034
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.5270
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(1S,2S,5S)-2,5-Dimethylcyclohexan-1-Ol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
(1S,2S,5S)-2,5-Dimethylcyclohexan-1-Ol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(1S,2S,5S)-2,5-dimethylcyclohexan-1-ol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(1S,2S,5S)-2,5-dimethylcyclohexan-1-ol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(1s,2s,5s)-2,5-dimethylcyclohexan-1-ol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(1s,2s,5s)-2,5-dimethylcyclohexan-1-ol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(1S,2S,5S)-2,5-dimethyl-1-cyclohexanol
Role
alias
Source
TCMBank
Preferred
No
Name
RUADGOLRFXTMCY-FXQIFTODSA-N
Role
alias
Source
HERB_v2
Preferred
No
Name
RUADGOLRFXTMCY-FXQIFTODSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL13447736
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL13447736
Role
alias
Source
itcmdb_public
Preferred
No
Name
e,e-2,5-Dimethylcyclohexanol, (e)
Role
alias
Source
HERB_v2
Preferred
No
Name
e,e-2,5-Dimethylcyclohexanol, (e)
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(1S,2S,5S)-2,5-dimethyl-1-cyclohexanolRUADGOLRFXTMCY-FXQIFTODSA-NSCHEMBL13447736e,e-2,5-Dimethylcyclohexanol, (e)
Cross References
Trusted external identifiers retained for this final record.
Cas
3809-32-3
Herb
HBIN003239
Tcmsp
MOL011883
Sym Map
SMIT12725
Pub Chem
10920530
Tcmbank
TCMBANKIN017603
Etcm Ingredient
(1S,2S,5S)-2,5-dimethylcyclohexan-1-ol
Itcmdb Generated
ITX-INGREDIENT-0D6738FCD45B
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C8H16O/c1-6-3-4-7(2)8(9)5-6/h6-9H,3-5H2,1-2H3/t6-,7-,8-/m0/s1
Mol Wt
128.215
Cas Id
3809-32-3
Mol Log P
1.8034
Version
v1,v2
In Ch Ikey
RUADGOLRFXTMCY-FXQIFTODSA-N
Ob Score
70.80272970.8027294370.803
Suppress
0
Num Hdonors
1
Drug Likeness
0.527
Num Hacceptors
1
Isomeric Smiles
C[C@H]1CC[C@@H]([C@H](C1)O)C
Molecule Weight
128.24
Canonical Smiles
CC1CCC(C(C1)O)C
Herb Alias Names
e,e-2,5-Dimethylcyclohexanol, (e)SCHEMBL13447736RUADGOLRFXTMCY-FXQIFTODSA-N
Molecular Weight
128.120
Molecular Weight
128.21
Molecular Formula
C8H16O
Molecular Formula
C8H16O
Molecular Formula
C8H16O
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.035
Quantitative Estimate Of Drug Likeness（Qed）
0.527